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039		9	_a201806121114 _bstaff _c201607151202 _dstaff _y201605041240 _zadmin
041	0		_aeng
099			_aEbook
100	1		_aWesolowski, Tomasz A.. _9118292
245			_aRecent progress in orbital-free density functional theory (Recent advances in computational chemistry, volume 6)/ _h[electronic resource] / _cYan Alexander Tomasz A.;Wang Wesolowski.
260			_bWorld Scientific Publishing Co. Pte. Ltd., _c2013.
300			_a464 p.
505	0		_gChapter, Lesson, Part _tPart 1: Density Functional for the Kinetic Energy and Its Applications in Orbital-Free DFT Simulations.
505	0		_gChapter, Lesson, Part _tChapter 1: From the Hohenberg-Kohn Theory to the Kohn-Sham Equations.
505	0		_gChapter, Lesson, Part _tChapter 2: Accurate Computation of the Non-Interacting Kinetic Energy from Electron Densities.
505	0		_gChapter, Lesson, Part _tChapter 3: The Single-Particle Kinetic Energy of Many-Fermion Systems: Transcending the Thomas-Fermi plus Von Weizsäcker Method.
505	0		_gChapter, Lesson, Part _tChapter 4: An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters.
505	0		_gChapter, Lesson, Part _tChapter 5: Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT.
505	0		_gChapter, Lesson, Part _tChapter 6: Properties of Hot and Dense Matter by Orbital-Free Molecular Dynamics.
505	0		_gChapter, Lesson, Part _tChapter 7: Shell-Correction and Orbital-Free Density-Functional Methods for Finite Systems.
505	0		_gChapter, Lesson, Part _tChapter 8: Finite Element Approximations in Orbital-Free Density Functional Theory.
505	0		_gChapter, Lesson, Part _tPart 2: The Functional for the Non-Additive Kinetic Energy and Its Applications in Numerical Simulations.
505	0		_gChapter, Lesson, Part _tChapter 9: Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts.
505	0		_gChapter, Lesson, Part _tChapter 10: Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory.
505	0		_gChapter, Lesson, Part _tChapter 11: Orbital-Free Embedding Calculations of Electronic Spectra.
505	0		_gChapter, Lesson, Part _tChapter 12: On the Principal Difference Between the Exact and Approximate Frozen-Density Embedding Theory.
505	0		_gChapter, Lesson, Part _tPart 3: Kinetic Energy Functional and Information Theory.
505	0		_gChapter, Lesson, Part _tChapter 13: Analytic Approach and Monte Carlo Sampling for Electron Correlations.
505	0		_gChapter, Lesson, Part _tChapter 14: Kinetic Energy and Fisher Information.
505	0		_gChapter, Lesson, Part _tChapter 15: Quantum Fluctuations, Dequantization, Information Theory and Kinetic-Energy Functionals.
505	0		_gChapter, Lesson, Part _tPart 4: Appendix.
505	0		_gChapter, Lesson, Part _tChapter 16: Semilocal Approximations for the Kinetic Energy.
505	0		_aCover, Title,Recent progress in orbital-free density functional theory (Recent advances in computational chemistry, volume 6)--Preface, Introduction, TOC,Preface--Preface, Introduction, TOC,Contents--References, Appendix, Index,Author Index--References, Appendix, Index,Subject Index.
650		0	_aChemistry _919461
650		0	_aComputational Chemistry _9118293
700	1		_aWang, Yan Alexander. _9118294
856	4	0	_uhttp://portal.igpublish.com/iglibrary/search/WSPCB0003099.html
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